Materials Data on LaGa2Co3 by Materials Project

doi:10.17188/1705753

Title: Materials Data on LaGa2Co3 by Materials Project

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Abstract

LaCo3Ga2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a hexagonal planar geometry to six Co and twelve Ga atoms. All La–Co bond lengths are 2.89 Å. There are four shorter (3.46 Å) and eight longer (3.48 Å) La–Ga bond lengths. In the second La site, La is bonded in a 12-coordinate geometry to twelve Co and six Ga atoms. There are a spread of La–Co bond distances ranging from 3.09–3.29 Å. There are a spread of La–Ga bond distances ranging from 3.14–3.16 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded to four equivalent La, four equivalent Co, and four equivalent Ga atoms to form a mixture of corner and face-sharing CoLa4Ga4Co4 cuboctahedra. All Co–Co bond lengths are 2.54 Å. All Co–Ga bond lengths are 2.58 Å. In the second Co site, Co is bonded to four equivalent La, four Co, and four equivalent Ga atoms to form a mixture of corner and face-sharing CoLa4Ga4Co4 cuboctahedra. There are two shorter (2.54 Å) and two longer (2.55 Å) Co–Co bond lengths. All Co–Ga bond lengths aremore »« less

Authors:: The Materials Project

Publication Date:: 2018-07-19

Other Number(s):: mp-1105630

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; LaGa2Co3; Co-Ga-La

OSTI Identifier:: 1705753

DOI:: https://doi.org/10.17188/1705753

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                    The Materials Project. Materials Data on LaGa2Co3 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1705753.

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                    The Materials Project. Materials Data on LaGa2Co3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1705753

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                    The Materials Project. 2018.  
"Materials Data on LaGa2Co3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1705753.  https://www.osti.gov/servlets/purl/1705753. Pub date:Thu Jul 19 00:00:00 EDT 2018

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@article{osti_1705753,

  title        = {Materials Data on LaGa2Co3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaCo3Ga2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a hexagonal planar geometry to six Co and twelve Ga atoms. All La–Co bond lengths are 2.89 Å. There are four shorter (3.46 Å) and eight longer (3.48 Å) La–Ga bond lengths. In the second La site, La is bonded in a 12-coordinate geometry to twelve Co and six Ga atoms. There are a spread of La–Co bond distances ranging from 3.09–3.29 Å. There are a spread of La–Ga bond distances ranging from 3.14–3.16 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded to four equivalent La, four equivalent Co, and four equivalent Ga atoms to form a mixture of corner and face-sharing CoLa4Ga4Co4 cuboctahedra. All Co–Co bond lengths are 2.54 Å. All Co–Ga bond lengths are 2.58 Å. In the second Co site, Co is bonded to four equivalent La, four Co, and four equivalent Ga atoms to form a mixture of corner and face-sharing CoLa4Ga4Co4 cuboctahedra. There are two shorter (2.54 Å) and two longer (2.55 Å) Co–Co bond lengths. All Co–Ga bond lengths are 2.57 Å. In the third Co site, Co is bonded in a 9-coordinate geometry to three La, two equivalent Co, and four equivalent Ga atoms. All Co–Ga bond lengths are 2.44 Å. In the fourth Co site, Co is bonded in a 9-coordinate geometry to three La, two Co, and four Ga atoms. All Co–Ga bond lengths are 2.44 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to four La, six Co, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.88 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four La, six Co, and two Ga atoms. The Ga–Ga bond length is 2.90 Å.},

  doi          = {10.17188/1705753},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1705753

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